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117721-69-4 | Benzene, 1-butoxy-2-(chloromethyl)-
CAS No: 117721-69-4 Catalog No: AG000HPK MDL No:
Product Description
Catalog Number:
AG000HPK
Chemical Name:
Benzene, 1-butoxy-2-(chloromethyl)-
CAS Number:
117721-69-4
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
1-butoxy-2-(chloromethyl)benzene
InChI:
InChI=1S/C11H15ClO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7H,2-3,8-9H2,1H3
InChI Key:
PZJDKLXZSIMYQN-UHFFFAOYSA-N
SMILES:
CCCCOc1ccccc1CCl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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